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Ab-Initio Real-Time Magnon Dynamics in Ferromagnetic and Ferrimagnetic Systems
Magnonics—an emerging field of physics—is based on the collective excitations of ordered spins called spin waves. These low-energy excitations carry pure spin currents, paving the way for future technological devices working at low energies and on ultrafast timescales. The traditional ab-initio approach to predict these spin-wave energies is based on linear-response time-dependent density functional theory (LR-TDDFT) in the momentum and frequency regime. Herein, the simulation of magnon dynamics using real-time time-dependent density functional theory is demonstrated, thus extending the domain of ab-initio magnonic studies. Unlike LR-TDDFT, this enables us to observe atom-resolved dynamics of individual magnon modes and, using a supercell approach, the dynamics of several magnon modes can be observed simultaneously. The energies of these magnon modes are concurrent with those found using LR-TDDFT. Next, the complex dynamics of the superposition of magnon modes is studied, before finally studying the element-resolved modes in multisublattice magnetic systems.
Defect-Induced Magnetism in Nonmagnetic Oxides: Basic Principles, Experimental Evidence, and Possible Devices with ZnO and TiO2
The magnetic moment and the magnetic order induced by localized defects, like vacancies, interstitials, and/or nonmagnetic (NM) ions, in a NM oxide atomic lattice are discussed. When the defect concentration is of the order of or larger than ≈3 at%, magnetic order at room temperature can appear. Herein, the theoretical basic principles needed to understand and compute this new magnetic phenomenon in solids are developed in detail. In particular, the main results of density functional theory (DFT) calculations are used to estimate the magnetization and X-ray magnetic circular dichroism (XMCD) values. The main experimental evidences on this phenomenon are reviewed, especially magnetization, the element-specific XMCD, and transport properties in two selected oxides, ZnO and TiO2. Emphasis is given on the simplicity and efficiency ion irradiation methods have to trigger magnetic order in these oxides as well as a very sensitive method to characterize magnetic impurities. Two possible applications of this phenomenon are discussed, namely spin filtering at magnetic/NM interfaces in ZnO and perpendicular magnetic anisotropy triggered in TiO2 anatase microstructures. The existing literature on defect-induced magnetism in oxides is shortly reviewed, which provides further evidence on the robustness of this phenomenon in solids.